SCHEMBL4033839

SCHEMBL4033839

COc1cc(OC2CCOC2)c2c(=O)[nH]cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
LRRK2 Q5S007 2/20 0.39
PDE4B Q07343 7/20 0.38
PDE4D Q08499 7/20 0.38
PDE4A P27815 5/20 0.38
PDE4C Q08493 5/20 0.38
SYK P43405 2/20 0.37
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
CHEK1 O14757 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE10A Q9Y233 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1015994 0.93 EGFR (0.48) EGFRSRCKDRLRRK2PDE4D
SCHEMBL3282936 0.85 ALDH1A1 (0.41) EGFRSRCPDE4BPDE4DPDE4A
SCHEMBL4032074 0.83 IP6K1 (0.47) EGFRSRCKDRLRRK2PDE4B
SCHEMBL3275698 0.81 SRC (0.51) EGFRSRCKDRLRRK2
SCHEMBL3274854 0.81 EGFR (0.37) EGFRSRCKDRLRRK2PDE4B
SCHEMBL16747709 0.79 EGFR (0.49) EGFRSRCKDRLRRK2
SCHEMBL4031371 0.79 PARP1 (0.45) EGFRSRCLRRK2PDE4BSYK
SCHEMBL29609262 0.78 PDE3B (0.50) SRCPDE3B
SCHEMBL615784 0.78 PDE3B (0.50) SRCPDE3B
SCHEMBL18128968 0.77 EGFR (0.40) EGFRSRCKDRLRRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885SRC 111/4885KDR 75/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885SRC 39/4885KDR 33/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.